Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isothermal vapor-liquid equilibrium and excess molar enthalpies of the binary mixtures furfural + methyl isobutyl ketone, + 2-butanol and + 2-methyl-2-butanol

Zaitseva, A.[Anna], Laavi, H.[Helena], Pokki, J. -P.[Juha-Pekka], Uusi-Kyyny, P.[Petri], Alopaeus, V.[Ville]
Fluid Phase Equilib. 2014, 372, 85-99
ABSTRACT
Isothermal vapor-liquid equilibria (VLE) of the binary mixture of furfural + methyl isobutyl ketone (MIBK), furfural + 2-butanol and furfural + 2-methyl-2-butanol were measured at 333, 346 and 353 K with three equipment: a static total pressure apparatus, a recirculation still apparatus and a gas chromatograph connected to a headspace sampler (HS-GC). Excess molar enthalpy was measured for the three binary mixtures at 298.15 K by using SETARAM C80 calorimeter equipped with a flow mixing cell. Gas chromatography-mass spectrometry was employed for analysis of the furfural impurities. A comprehensive consistency analysis was performed for the obtained data. The experimental data are correlated with the NRTL, the UNIQUAC and the Wilson activity coefficient models. The results are compared with the UNIFAC-Dortmund and the COSMO-RS predictive models. All investigated mixtures show positive deviation from Raoult's law.
Compounds
# Formula Name
1 C6H12O 4-methylpentan-2-one
2 C4H10O butan-2-ol
3 C5H12O 2-methylbutan-2-ol
4 C5H4O2 2-furaldehyde
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isobaric mixing calorimetry
  • 9
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • headspace gas chromatography
  • 22
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 9
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 9
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 14
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 14
  • POMD
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isobaric mixing calorimetry
  • 9
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • headspace gas chromatography
  • 15
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 10
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 10
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 14
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 14
  • POMD
  • 3
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isobaric mixing calorimetry
  • 16
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • headspace gas chromatography
  • 11
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 14
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 14
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 15
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15